N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine

C10H15F3N2OS — CID 103476017

IUPACN-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(COCC(F)(F)F)nc1C
InChIInChI=1S/C10H15F3N2OS/c1-6(14-3)9-7(2)15-8(17-9)4-16-5-10(11,12)13/h6,14H,4-5H2,1-3H3
InChIKeyPFBXBLIOGACGBW-UHFFFAOYSA-N
MW268.30 g/mol
LogP2.81
Rot. Bonds5

About N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine

N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine (PubChem CID 103476017) has the molecular formula C10H15F3N2OS and a molecular weight of 268.30 g/mol. Its IUPAC name is N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine
PubChem CID103476017
Molecular FormulaC10H15F3N2OS
Molecular Weight268.30 g/mol
Exact Mass268.09
IUPAC NameN-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine
SMILESCNC(C)c1sc(COCC(F)(F)F)nc1C
InChIInChI=1S/C10H15F3N2OS/c1-6(14-3)9-7(2)15-8(17-9)4-16-5-10(11,12)13/h6,14H,4-5H2,1-3H3
InChIKeyPFBXBLIOGACGBW-UHFFFAOYSA-N
XLogP2.81
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The IUPAC name of N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine (CID 103476017) is N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The canonical SMILES for N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine is CNC(C)c1sc(COCC(F)(F)F)nc1C.
What is the InChIKey of N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
The InChIKey is PFBXBLIOGACGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2OS/c1-6(14-3)9-7(2)15-8(17-9)4-16-5-10(11,12)13/h6,14H,4-5H2,1-3H3.
What are the key properties of N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine?
N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine has a molecular weight of 268.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[4-methyl-2-(2,2,2-trifluoroethoxymethyl)-1,3-thiazol-5-yl]ethanamine is sourced from PubChem (CID 103476017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).